ethyl 3-methylsulfanyl-2-pentadecyl-1H-indole-5-carboxylate

Systemtic Name: ethyl 3-methylsulfanyl-2-pentadecyl-1H-indole-5-carboxylate Openeye Name: ethyl 3-methylsulfanyl-2-pentadecyl-1H-indole-5-carboxylate CAS Name: 3-(methylthio)-2-pentadecyl-1H-indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methylsulfanyl-2-pentadecyl-1H-indole-5-carboxylate Traditional Name: 3-(methylthio)-2-pentadecyl-1H-indole-5-carboxylic acid ethyl ester Formula: C27H43NO2S MolecularWeight: 445.70082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C2=C(N1)C=CC(=C2)C(=O)OCC)SC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C2=C(N1)C=CC(=C2)C(=O)OCC)SC

InChI

InChI=1S/C27H43NO2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25-26(31-3)23-21-22(27(29)30-5-2)19-20-24(23)28-25/h19-21,28H,4-18H2,1-3H3